⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1132433 | 0.79 | — | — | |
| SCHEMBL14573132 | 0.77 | — | — | |
| SCHEMBL2887918 | 0.77 | — | — | |
| SCHEMBL14818780 | 0.76 | NOS2 (0.33) | — | |
| SCHEMBL11376399 | 0.74 | — | — | |
| SCHEMBL16371728 | 0.74 | — | — | |
| SCHEMBL23138110 | 0.74 | NUDT1 (0.37) | — | |
| SCHEMBL16543930 | 0.74 | CYP1A2 (0.36) | — | |
| SCHEMBL17197111 | 0.73 | — | — | |
| SCHEMBL4076525 | 0.72 | P2RX3 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10472347-B2 | Aminopyrazine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2019-11-12 | — | — | US | disclosed |
| US-20180327385-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2018-11-15 | — | — | US | disclosed |
| EP-3220910-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | Merck Sharp & Dohme Corp. (US) | 2017-09-27 | — | — | EP | disclosed |
| CN-107106558-A | Having a2AAminopyrazine compounds with antagonist properties | 默沙东公司 | 2017-08-29 | — | — | CN | disclosed |
| WO-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | disclosed |